Pdbset (ccp4)

pdbset — is part of the ccp4 package and has various useful manipulations on coordinate files (e.g., PDB files).

Syntax=

pdbset XYZIN foo_in.pdb XYZOUT foo_out.pdb
[Keyworded input]

Keyworded input=

• The available keywords are:

BFACTOR, CELL, CHAIN, COM, ELEMENT, EXCLUDE, OCCUPANCY, ORTHOGONALIZATION, OUTPUT, PICK, REMARK, RENUMBER, REORTHOGONALIZE, REPLACE, ROTATE, SELECT, SEQUENCE, SHIFT, SPACEGROUP, SYMGEN, TRANSFORM, UTOB, XPLOR, NOISE, ATRENUMBER

Example usage

1. !/bin/sh -f

pdbset xyzin input.pdb xyzout output.pdb << eof OCCUPANCY RESET 90 BFACTOR ALWAYS 0 eof

External links

• pdbset man page